8-methoxy-5,6,7,8-tetrahydro-1H-quinolin-2-one

C10H13NO2 — CID 24962994

IUPAC8-methoxy-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCOC1CCCc2ccc(=O)[nH]c21
InChIInChI=1S/C10H13NO2/c1-13-8-4-2-3-7-5-6-9(12)11-10(7)8/h5-6,8H,2-4H2,1H3,(H,11,12)
InChIKeyXBXHPUOEEOJEOJ-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.40
Rot. Bonds1

About 8-methoxy-5,6,7,8-tetrahydro-1H-quinolin-2-one

8-methoxy-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 24962994) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 8-methoxy-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-methoxy-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID24962994
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name8-methoxy-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCOC1CCCc2ccc(=O)[nH]c21
InChIInChI=1S/C10H13NO2/c1-13-8-4-2-3-7-5-6-9(12)11-10(7)8/h5-6,8H,2-4H2,1H3,(H,11,12)
InChIKeyXBXHPUOEEOJEOJ-UHFFFAOYSA-N
XLogP1.40
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 8-methoxy-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 24962994) is 8-methoxy-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 8-methoxy-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 8-methoxy-5,6,7,8-tetrahydro-1H-quinolin-2-one is COC1CCCc2ccc(=O)[nH]c21.
What is the InChIKey of 8-methoxy-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is XBXHPUOEEOJEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-13-8-4-2-3-7-5-6-9(12)11-10(7)8/h5-6,8H,2-4H2,1H3,(H,11,12).
What are the key properties of 8-methoxy-5,6,7,8-tetrahydro-1H-quinolin-2-one?
8-methoxy-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 179.22 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 24962994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).